#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be2 s ASN 2 N 0.00 -0.13 0.15 1.45 3.84 -1.26 -5.02 114.94 113.98 1be2 s ASN 2 Ca 0.00 -0.01 -0.19 0.00 0.21 0.00 0.00 52.86 52.87 1be2 s ASN 2 Cb 0.00 0.15 0.07 0.00 -0.55 0.00 0.00 41.25 40.92 1be2 s ASN 2 CO 0.00 -0.24 1.21 0.00 -2.79 0.00 0.00 177.10 175.28 1be2 h GLY 4 N 0.00 0.76 0.97 0.00 0.00 -1.98 -0.81 103.07 102.02 1be2 h GLY 4 Ca 0.20 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1be2 h GLY 4 CO -0.76 0.55 0.40 -1.61 0.00 0.00 0.00 176.54 175.12 1be2 h GLN 5 N 0.52 0.79 0.11 4.80 -0.00 -1.63 0.11 115.11 119.81 1be2 h GLN 5 Ca 0.10 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1be2 h GLN 5 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.83 1be2 h GLN 5 CO 0.03 0.52 -0.19 0.28 0.00 0.00 0.00 178.83 179.47 1be2 h VAL 6 N 0.81 0.00 -0.21 2.39 2.07 -0.49 0.29 116.25 121.11 1be2 h VAL 6 Ca 0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.79 1be2 h VAL 6 Cb -0.07 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.63 1be2 h VAL 6 CO -0.06 0.00 -0.49 -0.78 0.02 0.00 0.00 177.57 176.26 1be2 h ASP 7 N -0.32 -1.56 -0.31 0.57 3.58 -0.88 0.39 116.42 117.89 1be2 h ASP 7 Ca -0.01 0.20 0.06 0.00 0.42 0.00 0.00 57.03 57.70 1be2 h ASP 7 Cb 0.30 0.63 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 1be2 h ASP 7 CO -0.06 -0.44 0.22 0.28 -2.88 0.00 0.00 179.24 176.35 1be2 h SER 8 N -0.50 0.12 0.00 2.28 0.02 -0.71 0.23 113.55 115.00 1be2 h SER 8 Ca 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1be2 h SER 8 Cb 0.64 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1be2 h SER 8 CO -0.47 0.08 -0.05 0.50 -1.14 0.00 0.00 176.83 175.75 1be2 h LYS 9 N 0.14 0.00 -0.31 3.45 3.11 0.68 -3.36 116.57 120.28 1be2 h LYS 9 Ca 0.14 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 58.04 1be2 h LYS 9 Cb 0.39 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.54 1be2 h LYS 9 CO -0.02 0.46 -0.47 0.52 -2.81 0.00 0.00 179.45 177.13 1be2 h MET 10 N -1.00 -0.40 -0.08 1.90 2.86 -0.01 -3.34 114.93 114.86 1be2 h MET 10 Ca -0.01 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1be2 h MET 10 Cb 0.48 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1be2 h MET 10 CO -0.01 -0.26 -0.05 1.17 1.06 0.00 0.00 176.91 178.82 1be2 n LYS 11 N -5.42 -0.04 -0.26 1.72 4.81 0.79 0.83 118.16 120.60 1be2 n LYS 11 Ca -0.03 0.16 0.07 0.00 -0.87 0.00 0.00 58.31 57.65 1be2 n LYS 11 Cb 0.36 -0.23 0.21 0.00 0.02 0.00 0.00 35.03 35.38 1be2 n LYS 11 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1be2 h PRO 12 N 0.00 0.23 0.00 1.64 0.13 -1.81 0.27 132.00 132.47 1be2 h PRO 12 Ca 0.01 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1be2 h PRO 12 Cb 0.03 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 1be2 h PRO 12 CO -0.08 0.16 -0.54 0.00 -0.23 0.00 0.00 178.00 177.31 1be2 h LEU 14 N 0.00 0.72 0.38 0.00 3.38 0.18 0.95 115.31 120.92 1be2 h LEU 14 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1be2 h LEU 14 Cb 1.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1be2 h LEU 14 CO 0.07 0.34 -0.27 0.00 0.09 0.00 0.00 178.44 178.67 1be2 h THR 15 N 0.79 0.43 -0.75 0.22 1.03 -0.36 -1.62 112.91 112.66 1be2 h THR 15 Ca 0.48 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.95 1be2 h THR 15 Cb 0.58 0.43 -0.10 0.00 -1.07 0.00 0.00 68.15 68.00 1be2 h THR 15 CO -0.31 0.00 -0.53 0.22 -0.01 0.00 0.00 175.52 174.89 1be2 h TYR 16 N -0.64 -1.68 -0.69 0.00 3.20 0.13 0.46 116.97 117.75 1be2 h TYR 16 Ca -0.04 0.11 0.11 0.00 3.14 0.00 0.00 58.73 62.05 1be2 h TYR 16 Cb 0.55 0.83 -0.04 0.00 1.54 0.00 0.00 36.73 39.61 1be2 h TYR 16 CO -0.12 -0.37 0.46 -0.39 -1.64 0.00 0.00 178.16 176.09 1be2 h VAL 17 N -0.11 0.87 0.00 1.81 -1.51 -0.47 0.14 116.25 116.98 1be2 h VAL 17 Ca 0.12 -0.16 -0.12 0.00 -1.23 0.00 0.00 66.70 65.31 1be2 h VAL 17 Cb 0.43 0.36 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 1be2 h VAL 17 CO -0.76 0.09 -0.98 0.06 -1.23 0.00 0.00 177.57 174.74 1be2 h GLN 18 N 0.47 0.00 0.00 5.19 3.07 -0.05 0.39 115.11 124.19 1be2 h GLN 18 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 1be2 h GLN 18 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1be2 h GLN 18 CO -0.10 0.32 0.00 0.41 0.09 0.00 0.00 178.83 179.54 1be2 n GLY 19 N 1.30 -0.97 3.68 0.06 0.00 0.14 -4.74 105.19 104.66 1be2 n GLY 19 Ca -0.04 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1be2 n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1be2 s GLY 20 N 0.00 1.78 -1.24 -0.02 0.00 -0.14 -4.78 107.32 102.91 1be2 s GLY 20 Ca 0.00 -1.73 -0.06 0.00 0.00 0.00 0.00 44.72 42.93 1be2 s GLY 20 CO 0.00 -1.73 2.54 -1.55 0.00 0.00 0.00 173.10 172.36 1be2 n PRO 21 N -1.00 4.18 -3.42 2.90 -0.04 -1.26 -4.64 135.00 131.72 1be2 n PRO 21 Ca -0.05 -3.11 -0.20 0.00 -0.04 0.00 0.00 63.50 60.10 1be2 n PRO 21 Cb 0.60 -2.59 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 1be2 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1be2 n GLY 22 N 1.91 3.10 3.91 0.55 0.00 -1.26 -4.78 105.19 108.62 1be2 n GLY 22 Ca 0.63 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 1be2 n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1be2 s PRO 23 N -3.55 3.55 -0.73 1.61 0.05 -1.26 -5.07 135.00 129.60 1be2 s PRO 23 Ca 0.16 0.11 -0.02 0.00 0.05 0.00 0.00 61.00 61.29 1be2 s PRO 23 Cb -0.01 -2.44 0.35 0.00 0.05 0.00 0.00 34.50 32.45 1be2 s PRO 23 CO 0.10 -0.11 2.10 0.43 0.05 0.00 0.00 177.00 179.57 1be2 n SER 24 N -2.05 7.45 0.00 6.66 7.64 -1.26 -4.97 113.62 127.09 1be2 n SER 24 Ca -0.00 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1be2 n SER 24 Cb 0.55 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1be2 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1be2 n GLY 25 N -0.50 0.38 0.29 0.23 0.00 -1.26 -4.47 105.19 99.87 1be2 n GLY 25 Ca 0.55 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 1be2 n GLY 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1be2 h GLU 26 N 0.00 -0.07 -0.80 1.61 4.11 -1.99 0.29 114.58 117.73 1be2 h GLU 26 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.56 1be2 h GLU 26 Cb 0.00 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.13 1be2 h GLU 26 CO 0.00 -0.05 -0.37 0.00 0.07 0.00 0.00 179.01 178.67 1be2 h ASN 29 N -0.42 -1.41 -0.37 0.00 -1.24 0.29 0.55 115.58 112.98 1be2 h ASN 29 Ca 0.05 0.25 0.03 0.00 0.71 0.00 0.00 56.30 57.34 1be2 h ASN 29 Cb 0.48 0.66 -0.03 0.00 0.73 0.00 0.00 38.32 40.16 1be2 h ASN 29 CO -0.19 -0.32 0.17 1.23 -1.29 0.00 0.00 177.43 177.04 1be2 h GLY 30 N -0.18 0.50 -0.35 1.57 0.00 -0.32 -1.57 103.07 102.71 1be2 h GLY 30 Ca 0.21 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.51 1be2 h GLY 30 CO -0.72 0.08 -0.39 -2.08 0.00 0.00 0.00 176.54 173.44 1be2 h VAL 31 N 0.36 0.14 -0.28 4.60 2.07 0.46 0.74 116.25 124.35 1be2 h VAL 31 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1be2 h VAL 31 Cb 0.08 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1be2 h VAL 31 CO -0.12 0.00 0.07 0.03 0.02 0.00 0.00 177.57 177.57 1be2 h ARG 32 N -0.25 0.18 -0.41 1.57 3.08 -0.46 0.36 114.38 118.45 1be2 h ARG 32 Ca 0.18 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.30 1be2 h ARG 32 Cb 0.56 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 1be2 h ARG 32 CO -0.62 0.12 -0.10 -0.44 -1.07 0.00 0.00 179.97 177.85 1be2 h ASP 33 N 0.18 -0.37 -0.49 7.04 5.19 0.02 0.63 116.42 128.62 1be2 h ASP 33 Ca 0.13 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 1be2 h ASP 33 Cb 0.12 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1be2 h ASP 33 CO -0.15 -0.13 0.20 -0.07 -3.12 0.00 0.00 179.24 175.96 1be2 h LEU 34 N 0.00 0.72 -1.42 1.55 4.07 -0.33 0.14 115.31 120.04 1be2 h LEU 34 Ca 0.19 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1be2 h LEU 34 Cb 0.30 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1be2 h LEU 34 CO -0.42 0.66 -0.27 -0.74 -1.08 0.00 0.00 178.44 176.59 1be2 h HIS 35 N 0.77 0.00 0.00 1.13 2.76 0.36 0.12 115.15 120.29 1be2 h HIS 35 Ca 0.18 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.08 1be2 h HIS 35 Cb 0.18 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1be2 h HIS 35 CO 0.01 0.27 -1.91 0.09 -1.30 0.00 0.00 177.93 175.09 1be2 n ASN 36 N -3.79 0.51 0.06 3.26 3.02 0.18 -4.18 115.26 114.32 1be2 n ASN 36 Ca -0.01 0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.57 1be2 n ASN 36 Cb 0.37 0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 39.88 1be2 n ASN 36 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1be2 h GLN 37 N 0.00 0.43 -4.50 3.52 4.20 -0.66 -3.42 115.11 114.68 1be2 h GLN 37 Ca -0.34 -0.63 -0.71 0.00 0.06 0.00 0.00 58.65 57.03 1be2 h GLN 37 Cb 1.95 0.22 -0.27 0.00 0.30 0.00 0.00 27.48 29.68 1be2 h GLN 37 CO 0.05 1.27 -0.49 0.00 -0.67 0.00 0.00 178.83 178.99 1be2 s ALA 38 N -2.75 3.26 -0.02 3.87 0.00 0.42 -4.89 121.76 121.66 1be2 s ALA 38 Ca -0.12 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 49.84 1be2 s ALA 38 Cb 0.03 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1be2 s ALA 38 CO 0.87 -1.57 0.02 1.04 0.00 0.00 0.00 175.76 176.12 1be2 n GLN 39 N 4.92 2.69 0.00 0.00 1.13 -1.26 -4.53 117.38 120.34 1be2 n GLN 39 Ca -0.11 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1be2 n GLN 39 Cb 0.44 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.73 1be2 n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1be2 n SER 40 N -1.96 0.00 0.00 1.08 3.41 -1.26 -4.93 113.62 109.96 1be2 n SER 40 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1be2 n SER 40 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1be2 n SER 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1be2 n SER 41 N 0.00 0.00 -0.00 4.04 3.41 -1.26 -3.98 113.62 115.82 1be2 n SER 41 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1be2 n SER 41 Cb 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1be2 n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1be2 n GLY 42 N 1.68 -0.01 0.00 5.00 0.00 -1.26 0.02 105.19 110.61 1be2 n GLY 42 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1be2 n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1be2 n ASP 43 N -3.54 0.00 -0.27 1.61 5.68 -1.26 -4.38 116.55 114.39 1be2 n ASP 43 Ca 0.00 0.00 0.20 0.00 -0.50 0.00 0.00 54.79 54.49 1be2 n ASP 43 Cb 0.01 0.00 0.38 0.00 -1.14 0.00 0.00 41.12 40.37 1be2 n ASP 43 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1be2 n ARG 44 N -0.52 -0.06 -0.20 0.11 1.85 -1.01 -0.90 116.66 115.94 1be2 n ARG 44 Ca 0.00 1.18 -0.09 0.00 -1.00 0.00 0.00 57.85 57.94 1be2 n ARG 44 Cb 0.00 -2.01 -0.04 0.00 -1.05 0.00 0.00 32.46 29.36 1be2 n ARG 44 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1be2 h GLN 45 N 0.00 -0.23 0.59 2.89 1.08 -0.61 0.48 115.11 119.30 1be2 h GLN 45 Ca 0.61 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.80 1be2 h GLN 45 Cb 1.49 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.98 1be2 h GLN 45 CO -0.70 -0.16 -0.28 0.00 -0.95 0.00 0.00 178.83 176.74 1be2 h THR 46 N -0.24 0.21 -0.99 -0.54 1.03 -1.22 0.18 112.91 111.34 1be2 h THR 46 Ca 0.17 -0.37 0.34 0.00 -0.01 0.00 0.00 66.41 66.53 1be2 h THR 46 Cb 0.57 0.30 -0.18 0.00 -1.07 0.00 0.00 68.15 67.76 1be2 h THR 46 CO -0.67 0.03 0.28 0.58 -0.01 0.00 0.00 175.52 175.73 1be2 h VAL 47 N -1.09 0.03 0.12 0.00 2.07 -1.45 0.21 116.25 116.15 1be2 h VAL 47 Ca -0.08 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1be2 h VAL 47 Cb 0.66 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1be2 h VAL 47 CO 0.13 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.67 1be2 h ASN 49 N -0.25 0.26 0.23 0.00 4.21 0.80 0.37 115.58 121.20 1be2 h ASN 49 Ca -0.02 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 1be2 h ASN 49 Cb 0.12 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1be2 h ASN 49 CO 0.03 -0.17 -0.11 0.00 -1.29 0.00 0.00 177.43 175.89 1be2 h LEU 51 N -1.06 0.35 -0.02 0.00 6.46 0.71 0.28 115.31 122.04 1be2 h LEU 51 Ca -0.03 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1be2 h LEU 51 Cb 0.24 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1be2 h LEU 51 CO 0.05 0.12 -0.07 0.50 -0.62 0.00 0.00 178.44 178.42 1be2 h LYS 52 N 0.34 0.08 -0.45 1.25 3.64 -0.38 -0.75 116.57 120.29 1be2 h LYS 52 Ca 0.50 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.90 1be2 h LYS 52 Cb 1.35 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 33.08 1be2 h LYS 52 CO -0.18 0.72 -0.31 0.78 -2.27 0.00 0.00 179.45 178.19 1be2 h GLY 53 N -0.55 -0.16 0.98 5.01 0.00 0.32 0.30 103.07 108.97 1be2 h GLY 53 Ca -0.00 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1be2 h GLY 53 CO 0.01 -0.21 -0.12 0.16 0.00 0.00 0.00 176.54 176.38 1be2 h ILE 54 N -0.21 0.75 -1.09 2.60 3.07 -0.91 0.57 117.51 122.29 1be2 h ILE 54 Ca 0.19 0.00 0.35 0.00 1.55 0.00 0.00 64.86 66.95 1be2 h ILE 54 Cb 0.53 0.75 -0.14 0.00 -0.27 0.00 0.00 36.82 37.69 1be2 h ILE 54 CO -0.57 0.00 0.66 0.00 -1.05 0.00 0.00 178.15 177.18 1be2 h ALA 55 N 0.43 2.21 -0.06 0.16 0.00 0.70 1.12 119.26 123.82 1be2 h ALA 55 Ca -0.03 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1be2 h ALA 55 Cb 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1be2 h ALA 55 CO 0.05 -0.81 -0.72 0.00 0.00 0.00 0.00 179.25 177.77 1be2 h ARG 56 N 0.26 0.31 -1.32 0.00 2.47 0.66 -3.32 114.38 113.44 1be2 h ARG 56 Ca 0.74 -0.26 -0.70 0.00 -1.26 0.00 0.00 59.98 58.50 1be2 h ARG 56 Cb 1.91 0.05 -0.29 0.00 -1.65 0.00 0.00 29.97 29.99 1be2 h ARG 56 CO -0.52 0.91 0.81 0.41 0.56 0.00 0.00 179.97 182.14 1be2 n GLY 57 N 0.53 5.80 3.72 0.04 0.00 0.38 -4.96 105.19 110.69 1be2 n GLY 57 Ca -0.04 -2.40 -0.31 0.00 0.00 0.00 0.00 46.02 43.27 1be2 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1be2 s ILE 58 N -4.92 1.35 0.06 -0.61 1.01 -0.98 -4.92 121.20 112.19 1be2 s ILE 58 Ca 0.60 -2.00 -0.36 0.00 0.00 0.00 0.00 60.65 58.88 1be2 s ILE 58 Cb 0.48 -2.38 -0.20 0.00 0.01 0.00 0.00 42.46 40.37 1be2 s ILE 58 CO -0.14 0.00 1.54 -0.74 0.00 0.00 0.00 174.94 175.60 1be2 h HIS 59 N 1.47 -1.21 0.00 3.97 -0.00 -1.92 -3.43 115.15 114.03 1be2 h HIS 59 Ca -0.44 -0.03 -0.22 0.00 -0.00 0.00 0.00 60.37 59.69 1be2 h HIS 59 Cb 1.30 0.40 -0.14 0.00 -0.00 0.00 0.00 27.41 28.96 1be2 h HIS 59 CO 1.32 -0.75 -0.46 -1.71 -0.00 0.00 0.00 177.93 176.33 1be2 n ASN 60 N -5.52 -2.70 -3.04 3.26 4.05 -1.26 -5.14 115.26 104.91 1be2 n ASN 60 Ca -0.16 -3.35 -0.38 0.00 0.45 0.00 0.00 54.58 51.14 1be2 n ASN 60 Cb 0.52 1.82 -0.04 0.00 1.23 0.00 0.00 39.78 43.30 1be2 n ASN 60 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1be2 n LEU 61 N 1.31 -0.25 -4.03 1.20 -0.00 -1.26 -4.62 117.00 109.34 1be2 n LEU 61 Ca 0.08 0.78 -0.33 0.00 -0.00 0.00 0.00 56.01 56.54 1be2 n LEU 61 Cb 0.65 -0.63 -0.12 0.00 -0.00 0.00 0.00 43.42 43.32 1be2 n LEU 61 CO 0.03 -1.51 -0.10 0.21 -0.00 0.00 0.00 177.39 176.02 1be2 s ASN 62 N -0.19 4.83 0.00 1.96 2.47 0.14 -4.91 114.94 119.23 1be2 s ASN 62 Ca 0.57 -2.78 0.00 0.00 0.42 0.00 0.00 52.86 51.07 1be2 s ASN 62 Cb -0.80 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1be2 s ASN 62 CO 0.39 -0.33 0.00 0.00 -3.72 0.00 0.00 177.10 173.44 1be2 n LEU 63 N 3.50 0.00 -0.29 3.21 -0.00 -1.26 -1.25 117.00 120.91 1be2 n LEU 63 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.99 1be2 n LEU 63 Cb 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.71 1be2 n LEU 63 CO 0.33 0.00 0.37 -3.20 -0.00 0.00 0.00 177.39 174.88 1be2 n ASN 64 N -3.39 -0.74 0.30 1.45 2.85 -1.26 -0.26 115.26 114.20 1be2 n ASN 64 Ca 0.00 1.31 -0.18 0.00 -0.11 0.00 0.00 54.58 55.60 1be2 n ASN 64 Cb 0.00 -0.19 -0.10 0.00 1.24 0.00 0.00 39.78 40.73 1be2 n ASN 64 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1be2 h ASN 65 N 0.00 -1.33 -0.95 1.20 2.35 -1.48 0.23 115.58 115.60 1be2 h ASN 65 Ca 0.11 0.10 0.20 0.00 -0.55 0.00 0.00 56.30 56.17 1be2 h ASN 65 Cb 0.29 0.44 -0.18 0.00 0.05 0.00 0.00 38.32 38.91 1be2 h ASN 65 CO -0.66 -0.66 -0.19 0.00 -1.65 0.00 0.00 177.43 174.27 1be2 h ALA 66 N -0.97 0.71 -0.04 -0.83 0.00 -0.74 0.15 119.26 117.55 1be2 h ALA 66 Ca -0.07 0.36 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1be2 h ALA 66 Cb 0.86 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1be2 h ALA 66 CO -0.05 -0.41 -0.81 0.00 0.00 0.00 0.00 179.25 177.98 1be2 h ALA 67 N 1.94 0.53 -0.52 0.00 0.00 -0.29 -3.10 119.26 117.83 1be2 h ALA 67 Ca 0.47 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1be2 h ALA 67 Cb 0.77 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1be2 h ALA 67 CO -0.96 0.81 0.25 1.03 0.00 0.00 0.00 179.25 180.38 1be2 h SER 68 N 0.22 0.33 0.00 0.00 0.87 0.21 -2.02 113.55 113.16 1be2 h SER 68 Ca -0.04 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1be2 h SER 68 Cb 1.41 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1be2 h SER 68 CO 0.13 0.23 0.00 -0.38 -0.53 0.00 0.00 176.83 176.28 1be2 n ILE 69 N -4.91 0.00 -0.18 2.23 2.08 0.05 -0.51 119.36 118.13 1be2 n ILE 69 Ca 0.05 1.44 0.06 0.00 0.56 0.00 0.00 62.75 64.86 1be2 n ILE 69 Cb 0.16 -1.98 0.35 0.00 -0.75 0.00 0.00 39.64 37.42 1be2 n ILE 69 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1be2 h PRO 70 N 0.00 0.74 -0.83 0.38 0.13 -1.64 0.43 132.00 131.22 1be2 h PRO 70 Ca 0.00 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1be2 h PRO 70 Cb 0.00 -0.17 -0.07 0.00 0.13 0.00 0.00 31.00 30.89 1be2 h PRO 70 CO 0.00 0.49 0.49 1.03 -0.23 0.00 0.00 178.00 179.78 1be2 h SER 71 N 0.77 0.72 0.16 1.44 0.87 -0.28 0.39 113.55 117.62 1be2 h SER 71 Ca 0.31 0.04 -0.28 0.00 -1.23 0.00 0.00 61.79 60.63 1be2 h SER 71 Cb 0.23 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 1be2 h SER 71 CO -0.10 0.43 -2.11 0.29 -0.53 0.00 0.00 176.83 174.81 1be2 n LYS 72 N -4.71 0.67 0.18 2.24 5.02 0.34 -4.19 118.16 117.71 1be2 n LYS 72 Ca 0.13 0.04 0.08 0.00 -2.02 0.00 0.00 58.31 56.53 1be2 n LYS 72 Cb 0.24 -1.60 0.12 0.00 -0.02 0.00 0.00 35.03 33.78 1be2 n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1be2 n ASN 74 N -3.17 -6.47 -0.72 0.00 4.13 0.13 -4.94 115.26 104.22 1be2 n ASN 74 Ca 0.03 -0.72 0.08 0.00 1.68 0.00 0.00 54.58 55.65 1be2 n ASN 74 Cb 0.62 -5.16 0.23 0.00 -1.54 0.00 0.00 39.78 33.92 1be2 n ASN 74 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1be2 n VAL 75 N -3.29 2.22 -2.33 2.41 0.31 -1.08 -5.04 118.33 111.53 1be2 n VAL 75 Ca -0.08 -2.05 0.00 0.00 -0.01 0.00 0.00 64.34 62.20 1be2 n VAL 75 Cb 0.62 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1be2 n VAL 75 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1be2 n ASN 76 N -0.78 0.00 -4.08 4.52 2.04 -1.26 -4.90 115.26 110.79 1be2 n ASN 76 Ca 0.21 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 54.23 1be2 n ASN 76 Cb 0.85 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.99 1be2 n ASN 76 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1be2 s VAL 77 N -2.82 0.53 0.07 3.53 0.11 -1.26 -5.06 120.40 115.50 1be2 s VAL 77 Ca 0.00 -1.31 -0.21 0.00 -2.93 0.00 0.00 61.98 57.53 1be2 s VAL 77 Cb 0.00 -0.88 -0.12 0.00 -1.53 0.00 0.00 36.38 33.85 1be2 s VAL 77 CO 0.00 -0.54 1.52 -0.65 -3.33 0.00 0.00 175.10 172.11 1be2 h PRO 78 N 4.08 0.27 -4.99 1.54 0.11 -1.98 -3.43 132.00 127.61 1be2 h PRO 78 Ca -0.35 -0.08 -0.50 0.00 0.11 0.00 0.00 66.00 65.18 1be2 h PRO 78 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1be2 h PRO 78 CO 0.48 0.46 1.72 2.48 -0.21 0.00 0.00 178.00 182.92 1be2 n TYR 79 N -4.78 2.35 -4.76 0.65 0.18 -1.26 -4.88 117.16 104.67 1be2 n TYR 79 Ca -0.05 -1.67 -0.33 0.00 1.88 0.00 0.00 57.90 57.73 1be2 n TYR 79 Cb 0.19 -2.16 -0.13 0.00 -0.38 0.00 0.00 39.34 36.86 1be2 n TYR 79 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1be2 s THR 80 N 7.85 3.29 0.00 -3.48 -1.32 -1.26 -4.95 115.64 115.78 1be2 s THR 80 Ca 0.63 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1be2 s THR 80 Cb 0.07 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.72 1be2 s THR 80 CO 0.13 0.57 0.00 0.00 -2.21 0.00 0.00 174.62 173.11 1be2 n ILE 81 N 2.68 0.00 -3.99 5.08 0.13 -1.26 -4.89 119.36 117.11 1be2 n ILE 81 Ca -0.18 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.37 1be2 n ILE 81 Cb 0.53 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 39.21 1be2 n ILE 81 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1be2 s SER 82 N 0.00 0.37 0.27 9.51 0.15 -1.26 -4.74 113.70 118.00 1be2 s SER 82 Ca 0.00 -0.42 -0.00 0.00 0.70 0.00 0.00 55.95 56.22 1be2 s SER 82 Cb 0.00 0.06 0.50 0.00 -1.71 0.00 0.00 66.02 64.87 1be2 s SER 82 CO 0.00 -0.22 1.83 1.55 1.20 0.00 0.00 173.24 177.60 1be2 h PRO 83 N 4.90 0.93 -2.14 5.44 0.13 -1.80 -3.34 132.00 136.10 1be2 h PRO 83 Ca -0.32 -0.06 -0.69 0.00 -0.87 0.00 0.00 66.00 64.07 1be2 h PRO 83 Cb 1.21 -0.21 -0.22 0.00 0.13 0.00 0.00 31.00 31.91 1be2 h PRO 83 CO 0.43 0.61 1.07 -3.47 -0.23 0.00 0.00 178.00 176.41 1be2 n ASP 84 N -4.64 7.26 -4.72 1.44 2.03 -1.26 -4.93 116.55 111.72 1be2 n ASP 84 Ca 0.17 -3.50 -0.36 0.00 0.52 0.00 0.00 54.79 51.62 1be2 n ASP 84 Cb 0.32 -1.19 -0.08 0.00 -0.72 0.00 0.00 41.12 39.46 1be2 n ASP 84 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1be2 s ILE 85 N -3.44 5.35 0.00 5.18 1.01 -1.25 -4.96 121.20 123.09 1be2 s ILE 85 Ca 0.52 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1be2 s ILE 85 Cb 0.33 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1be2 s ILE 85 CO -0.25 0.40 1.06 -0.67 0.00 0.00 0.00 174.94 175.48 1be2 n ASP 86 N 3.63 2.96 0.00 3.58 2.03 -1.26 -4.71 116.55 122.78 1be2 n ASP 86 Ca -0.14 -1.72 0.00 0.00 0.52 0.00 0.00 54.79 53.45 1be2 n ASP 86 Cb 0.52 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1be2 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1be2 h SER 88 N 0.00 -1.30 0.00 0.00 0.02 -1.91 -3.37 113.55 107.00 1be2 h SER 88 Ca 0.00 0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1be2 h SER 88 Cb 0.00 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1be2 h SER 88 CO 0.00 -0.15 -1.15 -2.11 -1.14 0.00 0.00 176.83 172.28 1be2 n ARG 89 N -4.36 3.31 -3.92 3.45 1.85 -0.17 -4.83 116.66 112.00 1be2 n ARG 89 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.50 1be2 n ARG 89 Cb 0.16 -1.06 0.01 0.00 -1.05 0.00 0.00 32.46 30.53 1be2 n ARG 89 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1be2 n ILE 90 N -2.13 -3.35 -1.71 8.89 5.41 0.42 -5.11 119.36 121.77 1be2 n ILE 90 Ca -0.04 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1be2 n ILE 90 Cb 0.57 -2.79 0.00 0.00 -0.71 0.00 0.00 39.64 36.71 1be2 n ILE 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55